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	hartrees
Energy at 0K	-267.765936
Energy at 298.15K
HF Energy	-266.942539
Nuclear repulsion energy	179.741060

Atom	x (Å)	y (Å)	z (Å)
C1	-2.158	-0.283	0.000
C2	-0.682	-0.568	0.000
O3	0.000	0.684	0.000
C4	1.317	0.630	0.000
O5	1.970	-0.359	0.000
H6	-2.709	-1.214	0.000
H7	-2.439	0.282	0.877
H8	-2.439	0.282	-0.877
H9	-0.380	-1.128	-0.873
H10	-0.380	-1.128	0.873
H11	1.728	1.635	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5034	2.3649	3.5927	4.1291	1.0814	1.0807	1.0807	2.1533	2.1533	4.3333
C2	1.5034		1.4258	2.3302	2.6605	2.1271	2.1402	2.1402	1.0803	1.0803	3.2649
O3	2.3649	1.4258		1.3177	2.2294	3.3075	2.6234	2.6234	2.0474	2.0474	1.9720
C4	3.5927	2.3302	1.3177		1.1857	4.4276	3.8729	3.8729	2.5951	2.5951	1.0857
O5	4.1291	2.6605	2.2294	1.1857		4.7564	4.5416	4.5416	2.6230	2.6230	2.0088
H6	1.0814	2.1271	3.3075	4.4276	4.7564		1.7548	1.7548	2.4880	2.4880	5.2723
H7	1.0807	2.1402	2.6234	3.8729	4.5416	1.7548		1.7546	3.0483	2.4956	4.4682
H8	1.0807	2.1402	2.6234	3.8729	4.5416	1.7548	1.7546		2.4956	3.0483	4.4682
H9	2.1533	1.0803	2.0474	2.5951	2.6230	2.4880	3.0483	2.4956		1.7463	3.5836
H10	2.1533	1.0803	2.0474	2.5951	2.6230	2.4880	2.4956	3.0483	1.7463		3.5836
H11	4.3333	3.2649	1.9720	1.0857	2.0088	5.2723	4.4682	4.4682	3.5836	3.5836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.650	C1	C2	H9	111.858
C1	C2	H10	111.858	C2	C1	H6	109.682
C2	C1	H7	110.774	C2	C1	H8	110.774
C2	O3	C4	116.227	O3	C2	H9	108.779
O3	C2	H10	108.779	O3	C4	O5	125.803
O3	C4	H11	109.897	O5	C4	H11	124.300
H6	C1	H7	108.504	H6	C1	H8	108.504
H7	C1	H8	108.538	H9	C2	H10	107.842

All results from a given calculation for HCOOC₂H₅ (Ethyl formate)

using model chemistry: CID/Def2TZVPP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for HCOOC2H5 (Ethyl formate)

using model chemistry: CID/Def2TZVPP

States and conformations

All results from a given calculation for HCOOC₂H₅ (Ethyl formate)